N-butan-2-yl-1-(2-fluorophenyl)-N-methyl-isoquinoline-3-carboxamide

Systemtic Name: N-butan-2-yl-1-(2-fluorophenyl)-N-methyl-isoquinoline-3-carboxamide Openeye Name: 1-(2-fluorophenyl)-N-methyl-N-sec-butyl-isoquinoline-3-carboxamide CAS Name: N-butan-2-yl-1-(2-fluorophenyl)-N-methyl-3-isoquinolinecarboxamide IUPAC Name: N-butan-2-yl-1-(2-fluorophenyl)-N-methylisoquinoline-3-carboxamide Traditional Name: 1-(2-fluorophenyl)-N-methyl-N-sec-butyl-isoquinoline-3-carboxamide Formula: C21H21FN2O MolecularWeight: 336.402643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3F

Isomeric SMILES

CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3F

InChI

InChI=1S/C21H21FN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3